N,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine

C16H27N — CID 116931239

IUPACN,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine
SMILESCNCC(Cc1ccc(C)c(C)c1C)C(C)C
InChIInChI=1S/C16H27N/c1-11(2)16(10-17-6)9-15-8-7-12(3)13(4)14(15)5/h7-8,11,16-17H,9-10H2,1-6H3
InChIKeyNMNBDHMSJZIUBO-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.65
Rot. Bonds5

About N,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine

N,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine (PubChem CID 116931239) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine
PubChem CID116931239
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine
SMILESCNCC(Cc1ccc(C)c(C)c1C)C(C)C
InChIInChI=1S/C16H27N/c1-11(2)16(10-17-6)9-15-8-7-12(3)13(4)14(15)5/h7-8,11,16-17H,9-10H2,1-6H3
InChIKeyNMNBDHMSJZIUBO-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine
CID 116931207
2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 116931174
2-propan-2-yl-N'-[(2,3,4-trimethylphenyl)methyl]propane-1,3-diamine
CID 115252515
2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 116931204
N,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine
CID 62528945
2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 62529340
3-methyl-2-[(2,3,4-trimethylphenyl)methyl]butanoic acid
CID 116930728
2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 116931184
2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116960845
2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 63522041
2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63522399
3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529551

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine?
The IUPAC name of N,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine (CID 116931239) is N,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine is CNCC(Cc1ccc(C)c(C)c1C)C(C)C.
What is the InChIKey of N,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine?
The InChIKey is NMNBDHMSJZIUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-11(2)16(10-17-6)9-15-8-7-12(3)13(4)14(15)5/h7-8,11,16-17H,9-10H2,1-6H3.
What are the key properties of N,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine?
N,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 116931239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).